Name: Name:Bethoxazin
Brand: Angene
SKU: AG00AOQ1
Rating: 90 (10 reviews)

Bethoxazin

CAS No.:

163269-30-5

Catalog Number:

AG00AOQ1

Molecular Formula:

C11H9NO2S2

Molecular Weight:

251.3247

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Product Description

Catalog Number:

AG00AOQ1

Chemical Name:

Bethoxazin

CAS Number:

163269-30-5

Molecular Formula:

C11H9NO2S2

Molecular Weight:

251.3247

MDL Number:

MFCD09033194

IUPAC Name:

3-(1-benzothiophen-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide

InChI:

InChI=1S/C11H9NO2S2/c13-16-6-5-14-12-11(16)10-7-8-3-1-2-4-9(8)15-10/h1-4,7H,5-6H2

InChI Key:

NRAYWXLNSHEHQO-UHFFFAOYSA-N

SMILES:

O=S1CCON=C1c1cc2c(s1)cccc2

EC Number:

431-030-6

Properties

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.318g/mol

Monoisotopic Mass:

251.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Chemical reactivity and microbicidal action of bethoxazin.	Bioorganic & medicinal chemistry 20120215

Properties